SCHEMBL4499201

SCHEMBL4499201

CC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3cc(F)ccc3c2CCO)=C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 7/20 0.35
CNR1 P21554 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CAMK2B Q13554 1/20 0.31
CAMK2G Q13555 1/20 0.31
CAMK2D Q13557 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4499087 0.88 CYP19A1 (0.42) CYP19A1MTNR1AMTNR1BALDH1A1TP53
SCHEMBL1379227 0.80 MLKL (0.41) MEN1KMT2ACNR1LMNAHPGD
SCHEMBL4490559 0.80 CYP19A1 (0.42) CYP19A1MTNR1AMTNR1B
SCHEMBL1376852 0.79 HTR2A (0.39) MEN1KMT2ACNR1LMNAHPGD
SCHEMBL1379124 0.78 CYP19A1 (0.34) MEN1KMT2ACYP19A1CNR1LMNA
SCHEMBL4505261 0.77 MTNR1A (0.52) MEN1KMT2ACYP19A1HPGDMTNR1A
SCHEMBL4510000 0.77 MTNR1A (0.52) MEN1KMT2ACYP19A1HPGDMTNR1A
SCHEMBL4498277 0.76 MTNR1A (0.61) MEN1KMT2ACYP19A1HPGDMTNR1A
SCHEMBL4498964 0.76 MTNR1A (0.42) MEN1KMT2ACYP19A1HPGDMTNR1A
SCHEMBL4490551 0.75 MTNR1A (0.38) MEN1KMT2ACYP19A1HPGDMTNR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 MEN1 713/4885KMT2A 2349/4885CYP19A1 1030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.